SCHEMBL19742765

SCHEMBL19742765

C[S+]([O-])Cc1cc(N)ccc1[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.37
PROKR1 Q8TCW9 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM5A P29375 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19742608 1.00 BTK (0.37) BTKPROKR1NPC1TP53MAPT
SCHEMBL19742609 1.00 BTK (0.37) BTKPROKR1NPC1TP53MAPT
SCHEMBL19742767 1.00 BTK (0.37) BTKPROKR1NPC1TP53MAPT
SCHEMBL19742764 0.94 PROKR1 (0.39) BTKPROKR1
SCHEMBL19742620 0.85 PDE4B (0.43) TP53MAPTSMN1; SMN2
SCHEMBL19742634 0.81 BTK (0.39) BTKNPC1TP53MAPTRAB9A
SCHEMBL19742635 0.81 BTK (0.39) BTKNPC1TP53MAPTRAB9A
SCHEMBL19742541 0.80 ALOX5AP (0.42) MAPTKMT2AALDH1A1
SCHEMBL19742619 0.79 CHRNB2 (0.33)
SCHEMBL29357513 0.79 CHRNB2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 BTK 193/4885PROKR1 1246/4885NPC1 4261/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 BTK 193/4885PROKR1 1246/4885NPC1 4261/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.